| SpectraBase Compound ID | 8q3NPsdoG84 |
|---|---|
| InChI | InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20?,21-,22-,24-,25?,26?,27?,28?,29+,30+,31+,32?,33-,34+,35+,36+,37+,38-,39-,40+,41+,42+,43-,44+,45+,46-,47-,48+,49-,50-,51?/m0/s1 |
| InChIKey | GMCGZPQYTRHQRU-GXGXWLMRSA-N |
| Mol Weight | 1065.2 g/mol |
| Molecular Formula | C51H84O23 |
| Exact Mass | 1064.540339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HYVtBwknFao |
|---|---|
| Name | PROTONEOGRACILLIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H84O23 |
| InChI | InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20?,21-,22-,24-,25?,26?,27?,28?,29+,30+,31+,32?,33-,34+,35+,36+,37+,38-,39-,40+,41+,42+,43-,44+,45+,46-,47-,48+,49-,50-,51?/m0/s1 |
| InChIKey | GMCGZPQYTRHQRU-GXGXWLMRSA-N |
| Literature Reference Author | K.HU,A.DONG,X.YAO,H.KOBAYASHI,S.IWASAKI |
| Literature Reference Citation | PLANTA.MED.,63,161(1997) |
| Literature Reference DOI | 10.1055/s-2006-957636 |
| Molecular Weight | 1065.214 g/mol |
| Solvent | C5D5N |
| Source File Reference | UIAP908 |